Hello everyone
friends, i'm trying to minimize a protein binding system, but i get the
following message on the terminal.
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.
Backtrace for this error:
# 0 0x7ff1ddf4932a
# 1 0x7ff1ddf48503
# 2 0x7ff1dd3a6fcf
# 3 0x556819cdf6e8
# 4 0x556819ce1798
# 5 0x556819f53083
# 6 0x556819c51c45
# 7 0x556819c47a88
# 8 0x556819c47b6b
# 9 0x7ff1dd389b96
# 10 0x556819bc0669
# 11 0xffffffffffffffff
-------------------------------------------------- ------------------------
mpirun noticed that process rank 3 with PID 0 on renato node exited on
signal 11 (Segmentation fault).
follow my input
Mnimization HIDROG + WAT
& cntrl
imin = 1, ntx = 1,
ntpr = 1, ntwr = 5000, ibelly = 1,
maxcyc = 5000, ncyc = 2000, drms = 0.001
& end
Residues moving during minimization
FIND
* H * *
* HC * *
* H1 * *
* H2 * *
* H3 * *
* THERE IS * *
* H4 * *
* H5 * *
* HO * *
* HS * *
* HP * *
* HZ * *
SEARCH
RES 1 306
END
AND
RES 311 18902
END
END
Could someone help me solve this error?
--
Prof Dr Renato Costa
Instituto Federal do Pará - IFPA
Grupo de Modelagem Molecular - UFPA
Tel.+55 91 985484622
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Received on Fri Sep 18 2020 - 14:30:03 PDT
